N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide

C15H12ClN3O3 — CID 6463381

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12ClN3O3/c1-9-12(6-7-21-9)15(20)17-8-13-18-14(19-22-13)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,17,20)
InChIKeyQLPMJLLUPAULPM-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.22
Rot. Bonds4

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 6463381) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide
PubChem CID6463381
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H12ClN3O3/c1-9-12(6-7-21-9)15(20)17-8-13-18-14(19-22-13)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,17,20)
InChIKeyQLPMJLLUPAULPM-UHFFFAOYSA-N
XLogP3.22
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide (CID 6463381) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is QLPMJLLUPAULPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-9-12(6-7-21-9)15(20)17-8-13-18-14(19-22-13)10-2-4-11(16)5-3-10/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 317.73 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6463381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).